5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine

C14H14BrN3S — CID 79505173

IUPAC5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(N2C(N)=NCC2c2cc(Br)cs2)cc1
InChIInChI=1S/C14H14BrN3S/c1-9-2-4-11(5-3-9)18-12(7-17-14(18)16)13-6-10(15)8-19-13/h2-6,8,12H,7H2,1H3,(H2,16,17)
InChIKeyTVWCOXVSHIGMGG-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.70
Rot. Bonds2

About 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine

5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505173) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505173
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(N2C(N)=NCC2c2cc(Br)cs2)cc1
InChIInChI=1S/C14H14BrN3S/c1-9-2-4-11(5-3-9)18-12(7-17-14(18)16)13-6-10(15)8-19-13/h2-6,8,12H,7H2,1H3,(H2,16,17)
InChIKeyTVWCOXVSHIGMGG-UHFFFAOYSA-N
XLogP3.70
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine (CID 79505173) is 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine is Cc1ccc(N2C(N)=NCC2c2cc(Br)cs2)cc1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is TVWCOXVSHIGMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-9-2-4-11(5-3-9)18-12(7-17-14(18)16)13-6-10(15)8-19-13/h2-6,8,12H,7H2,1H3,(H2,16,17).
What are the key properties of 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine?
5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 336.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).